SCHEMBL5774994

SCHEMBL5774994

O=C(O)N1CCc2c(CN3CC4CC4C3)cccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 2/20 0.37
▸ ABHD6 Q9BV23 4/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5775730 0.85 KDM4E (0.39) KDM4ETDP1ATML3MBTL1GAA
SCHEMBL5777006 0.82 SMN1; SMN2 (0.44) KDM4EABHD6SMN1; SMN2ALDH1A1TAAR1
SCHEMBL5776465 0.81 CYP2A13 (0.44) KDM4EL3MBTL1ALDH1A1CYP3A4CYP2D6
SCHEMBL6279147 0.79 ALDH1A1 (0.44) KDM4ETDP1ABHD6NPC1TP53
SCHEMBL18584701 0.79 ABHD6 (0.43) KDM4EGAAABHD6NPC1TP53
SCHEMBL28901639 0.78 ABHD6 (0.41) KDM4EGAAABHD6NPC1TP53
SCHEMBL16268894 0.78 S1PR5 (0.40) KDM4EGAAABHD6NPC1TP53
SCHEMBL28245902 0.76 S1PR5 (0.51) KDM4ETDP1L3MBTL1GAAABHD6
SCHEMBL22319819 0.74 S1PR5 (0.47) KDM4EGAAABHD6NPC1TP53
SCHEMBL1550147 0.73 ABHD6 (0.60) ABHD6NPC1TP53RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 — — EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 — — US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 KDM4E 2413/4885TDP1 1558/4885ATM 4190/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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